N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H23N3O3 — CID 65123783

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-11-6-8-15(21,9-7-11)10-16-14(20)12-4-5-13(19)18(2)17-12/h4-5,11,21H,3,6-10H2,1-2H3,(H,16,20)
InChIKeyLCTHNCUWVJHMIN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.84
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 65123783) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID65123783
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-11-6-8-15(21,9-7-11)10-16-14(20)12-4-5-13(19)18(2)17-12/h4-5,11,21H,3,6-10H2,1-2H3,(H,16,20)
InChIKeyLCTHNCUWVJHMIN-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 65123783) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is CCC1CCC(O)(CNC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LCTHNCUWVJHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-11-6-8-15(21,9-7-11)10-16-14(20)12-4-5-13(19)18(2)17-12/h4-5,11,21H,3,6-10H2,1-2H3,(H,16,20).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 65123783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).